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Home > Fluorides > 1190316-38-1
1190316-38-1 | 1H-Pyrrolo[3,2-b]pyridine, 3-iodo-7-(trifluoromethyl)-
CAS No: 1190316-38-1 Catalog No: AG000HP0 MDL No:
Product Description
Catalog Number:
AG000HP0
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 3-iodo-7-(trifluoromethyl)-
CAS Number:
1190316-38-1
Molecular Formula:
C8H4F3IN2
Molecular Weight:
312.0304
IUPAC Name:
3-iodo-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C8H4F3IN2/c9-8(10,11)4-1-2-13-7-5(12)3-14-6(4)7/h1-3,14H
InChI Key:
XKXOFBZXSGXIOA-UHFFFAOYSA-N
SMILES:
Ic1c[nH]c2c1nccc2C(F)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.937g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.034g/mol
Monoisotopic Mass:
311.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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